Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2745916 | 0.97 | TDP1 (0.39) | TDP1EPHX1CYP1A2CYP2C19NOS3 | |
| SCHEMBL2746574 | 0.90 | TDP1 (0.39) | TDP1CYP1A2CYP2C19NOS3NOS1 | |
| SCHEMBL6691884 | 0.87 | EPHX1 (0.53) | TDP1EPHX1CYP1A2CYP2C19NOS3 | |
| SCHEMBL10624436 | 0.87 | EPHX1 (0.53) | TDP1EPHX1CYP1A2CYP2C19NOS3 | |
| SCHEMBL14763656 | 0.87 | EPHX1 (0.53) | TDP1EPHX1CYP1A2CYP2C19NOS3 | |
| SCHEMBL9087400 | 0.87 | EPHX1 (0.53) | TDP1EPHX1CYP1A2CYP2C19NOS3 | |
| SCHEMBL14776701 | 0.85 | TSHR (0.55) | TDP1CYP1A2HSD17B10ALDH1A1THRB | |
| SCHEMBL28671 | 0.84 | — | — | |
| SCHEMBL9085970 | 0.83 | CYP1A2 (0.44) | TDP1CYP1A2CYP2C19NOS3NOS1 | |
| SCHEMBL2630505 | 0.80 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5565602-A | REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-15 | — | — | US | claimed |
| US-5565602-A | REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-15 | — | — | US | disclosed |